2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane

C18H27NS — CID 170587640

IUPAC2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane
SMILESCC.CC(C)c1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C16H21NS.C2H6/c1-11(2)14-13(12-9-7-6-8-10-12)17-15(18-14)16(3,4)5;1-2/h6-11H,1-5H3;1-2H3
InChIKeyZSUBGLXWHPKFNB-UHFFFAOYSA-N
MW289.49 g/mol
LogP6.26
Rot. Bonds2

About 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane

2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane (PubChem CID 170587640) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane
PubChem CID170587640
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane
SMILESCC.CC(C)c1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C16H21NS.C2H6/c1-11(2)14-13(12-9-7-6-8-10-12)17-15(18-14)16(3,4)5;1-2/h6-11H,1-5H3;1-2H3
InChIKeyZSUBGLXWHPKFNB-UHFFFAOYSA-N
XLogP6.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
2-methyl-N-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62543216
2-(chloromethyl)-4-phenyl-5-propan-2-yl-1,3-thiazole
CID 62921644
N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
CID 63470536
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-methyl-2-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 104513428
2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 170588418
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 81178207
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
CID 62076851
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174433

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane?
The IUPAC name of 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane (CID 170587640) is 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane.
What is the SMILES notation for 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane?
The canonical SMILES for 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane is CC.CC(C)c1sc(C(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane?
The InChIKey is ZSUBGLXWHPKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS.C2H6/c1-11(2)14-13(12-9-7-6-8-10-12)17-15(18-14)16(3,4)5;1-2/h6-11H,1-5H3;1-2H3.
What are the key properties of 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane?
2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane has a molecular weight of 289.49 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane is sourced from PubChem (CID 170587640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).